7-phenyl-3-phenyl-3H-1,2,3-triazolo<4,5-d>pyrimidine | 74136-42-8

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 二嗪类
• 英文名称: 7-phenyl-3-phenyl-3H-1,2,3-triazolo<4,5-d>pyrimidine
• 英文别名: 3,7-diphenyl-3H-1,2,3-triazolo<4,5-d>pyrimidine；3,7-diphenyl-3H-[1,2,3]triazolo[4,5-d]pyrimidine；3,7-diphenyl-3H-[1,2,3]triazolo[4,5-d]pyrimidine；3H-1,2,3-Triazolo[4,5-d]pyrimidine, 1,4-diphenyl-；3,7-diphenyltriazolo[4,5-d]pyrimidine
• CAS: 74136-42-8
• 化学式: C₁₆H₁₁N₅
• 分子量: 273.297
• InChiKey: VNUYSJKEJOMBEV-UHFFFAOYSA-N

物化性质

• 熔点：
  127-128 °C(Solv: ligroine (8032-32-4))
• 沸点：
  497.2±37.0 °C(Predicted)
• 密度：
  1.32±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  3
• 重原子数：
  21
• 可旋转键数：
  2
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  56.5
• 氢给体数：
  0
• 氢受体数：
  4

反应信息

• 作为产物：
  描述：

  7-chloro-3-phenyl-3H-[1,2,3]triazolo[4,5-d]pyrimidine 在 氢氧化钾 、 sodium hydroxide 、 N,N'-二甲基苯并咪唑鎓碘化物 、 sodium hydride 、 potassium hexacyanoferrate(III) 作用下， 以 四氢呋喃 、 paraffin 为溶剂， 反应 1.08h， 生成 7-phenyl-3-phenyl-3H-1,2,3-triazolo<4,5-d>pyrimidine
  参考文献：
  名称：

  Higashino, Takeo; Takemoto, Masumi; Miyashita, Akira, Chemical and pharmaceutical bulletin, 1985, vol. 33, # 4, p. 1395 - 1399

  摘要：

  DOI：

文献信息

• Silver-Catalyzed Direct C6-H Arylation of Purines and Purine Nucleosides with Arylboronic Acids
  作者：Miao Tian、Mingwu Yu、Tingting Shi、Junbin Hu、Shunlai Li、Jiaxi Xu、Ning Chen、Hongguang Du

  DOI：10.1002/ejoc.201700406

  日期：2017.6.30

  An efficient protocol for the direct C6–H arylation of purines and purine nucleosides is described under the catalysis of silver nitrate and under ambient conditions. A wide assortment of purines and arylboronic acids can be employed in this process to afford C6‐arylpurines and purine nucleosides with high regioselectivity. TFA = trifluoroacetic acid; DCE = 1,2‐dichloroethane.

  在硝酸银的催化下和环境条件下，描述了嘌呤和嘌呤核苷直接进行C6-H芳基化的有效方法。在此过程中可以使用各种各样的嘌呤和芳基硼酸，以提供具有高区域选择性的C6-芳基嘌呤和嘌呤核苷。TFA =三氟乙酸；DCE = 1,2-二氯乙烷
• NOVEL DIPHENYL PURINE DERIVATIVES USEFUL AS MODULATORS OF NICOTINIC ACETYLCHOLINE RECEPTORS
  申请人：Nardi Antonio

  公开号：US20110269778A1

  公开（公告）日：2011-11-03

  This invention relates to novel (6-phenyl-5-amino/nitro-pyrimidin-4-yl)-phenyl-amines, which are found to be modulators of the nicotinic acetylcholine receptors. Due to their pharmacological profile the compounds of the invention may be useful for the treatment of diseases or disorders as diverse as those related to the cholinergic system of the central nervous system (CNS), the peripheral nervous system (PNS), diseases or disorders related to smooth muscle contraction, endocrine diseases or disorders, diseases or disorders related to neuro-degeneration, diseases or disorders related to inflammation, pain, and withdrawal symptoms caused by the termination of abuse of chemical substances.

  本发明涉及新型(6-苯基-5-氨基/硝基嘧啶-4-基)-苯胺，发现它们是乙酰胆碱受体的调节剂。由于它们的药理特性，本发明中的化合物可能有助于治疗与中枢神经系统(CNS)、周围神经系统(PNS)的胆碱能系统相关的疾病或疾病，与平滑肌收缩相关的疾病或疾病，内分泌疾病或疾病，与神经退行性相关的疾病或疾病，与炎症、疼痛和化学物质滥用终止引起的戒断症状相关的疾病或疾病。
• Ring Opening of 4-Chloroquinazoline into 2-Arylmethyleneaminobenzonitrile by Grignard Reaction
  作者：Akira Miyashita、Takami Sasaki、Etsuko Oishi、Takeo Higashino

  DOI：10.3987/com-93-s67

  日期：——

  The treatment of 4-chloroquinazoline (1) with arylmagnesium bromide (3) in tetrahydrofuran (THF) resulted in the formation of 2-arylmethyleneaminobenzonitrile (2). Continued reaction of ring opening of 1 and subsequent hydrolysis of the products (2) afforded the corresponding arenecarbaldehydes (4).
• Higashino, Takeo; Katori, Tatsuhiko; Yoshida, Shizuo, Chemical and pharmaceutical bulletin, 1980, vol. 28, # 1, p. 255 - 261
  作者：Higashino, Takeo、Katori, Tatsuhiko、Yoshida, Shizuo、Hayashi, Eisaku

  DOI：——

  日期：——
• Synthesis of derivatives of 5-amino-4-acyl-1,2,3-triazole, 8-azapurine, and 1,2,3-triazolo[4,5-b]pyridin-7-one using N,N-acetals of acylketenes and tosylazide
  作者：M. F. Gordeev、A. V. Komkov、V. S. Bogdanov、V. A. Dorokhov

  DOI：10.1007/bf00962394

  日期：1990.6

  By reaction of N,N-acetals of acylketenes with tosylazide there were synthesized 5-amino-4-acyl-1,2,3-triazoles substituted at the endo(N1)- or exocyclic nitrogen atom. Triazoles containing a free NH2 group were used in the synthesis of the corresponding 8-azapurines and 4-acetyl-5-benzoylamino-1,2,3-triazole afforded 2-methyl-2H,4H-1,2,3-triazolo[4,5-b]pyridin-7-one.